3,5-Dichlorobenzonitrile

CAT: 0926-FD31356-01Size: 0.25 kgDry Ice: NoHazardous: No

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CAT#:0926-FD31356-01Size:0.25 kg

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CAS Number

6575-00-4

MDL Number

MFCD00001800

Smiles

C1=C (C=C (C=C1Cl) Cl) C#N

Molecular Formula

C7H3Cl2N

Molecular Weight

172.01 g/mol

Controlled

Chemical Information

3,5-Dichlorobenzonitrile

structure in first source

CAS Number	6575-00-4
PubChem CID	81052
IUPAC Name	3,5-dichlorobenzonitrile
Molecular Formula	C7H3Cl2N
Molecular Weight	172.01
XLogP	2.9
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	150

SMILES

C1=C(C=C(C=C1Cl)Cl)C#N

InChI

InChI=1S/C7H3Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H

InChIKey

PUJSUOGJGIECFQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6575-00-4

CID: 81052

Formula: C7H3Cl2N

MW: 172.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.01
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	170.9642545
Monoisotopic Mass	170.9642545
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	150
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FD38611-01	2,5-Dichlorobenzonitrile
FD33164-01	2,3-Dichlorobenzonitrile
FD38616-01	3,4-Dichlorobenzonitrile
FD64132-01	2,6-Dichlorobenzonitrile
FD38612-01	2,4-Dichlorobenzonitrile
RMA12189-01	2-Amino-4,6-dichlorobenzonitrile
ZDA83526-01	2-Bromo-4,6-dichlorobenzonitrile
ZDA83527-01	4-Bromo-2,6-dichlorobenzonitrile
IBA28452-01	3,3',5,5'-Tetrachlorobiphenyl
HGA94317-01	3,3,5,5-Tetramethylazepane

Catalog	Name
TRC-D436528-500MG	3,5-Dichlorobenzonitrile
OR1048232-01	4- (Bromomethyl) -3,5-dichlorobenzonitrile
OR1080687-01	5-Bromo-2,3-dichlorobenzonitrile
OR3214	2-Amino-3,5-dichlorobenzonitrile
OR1045196-01	2-Bromo-3,5-dichlorobenzonitrile
sc-352375	4-Amino-3,5-dichlorobenzonitrile
OR24097	2,5-Dichlorobenzonitrile
A20320-01	4-Amino-3 5-Dichlorobenzonitrile
OR1038615	4-Bromo-3,5-dichlorobenzonitrile
273537-01	3,4-Dichlorobenzonitrile